Ligand name: N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
PDB ligand accession: CS5
DrugBank: n/a
PubChem: 9916309
ChEMBL: CHEMBL221597
InChI Key: JEEOUWBWJFSMIP-IOWSJCHKSA-N
SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(CNCc3cccc(c3)OC)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylbutylamines

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3L58	Download	Experimental	e3l58A2 e3l58A3 e3l58B2 e3l58B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
2QK5	Download	Experimental	e2qk5A2 e2qk5A3 e2qk5B2 e2qk5B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot